Molecule

ID:85598

General Information
Structure
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Molecular Formula
C₄H₅N
Molecular Mass
67.0892
Exact Mass
67.04219917
Charge
0
InChI
InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
InChIKey
KAESVJOAVNADME-UHFFFAOYSA-N
Canonic Smiles
c1ccc[nH]1
Isomeric Smiles
[nH]1cccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.05
LogD (pH = 5.5)
1.05
Log P
1.05
Rotatable Bonds
0
H Donor
1
H Acceptors
0
Lipinski's Rule of Five
true
Acid pKa
18.00
Polar Surface Area
15.79
Polarizability
7.17
Molar Refractivity
20.82
LOG S
-0.48
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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